2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one

C24H20FN5O3 — CID 144824020

IUPAC2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one
SMILESCCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C17H13FO2.C7H7N5O/c1-2-14-16(11-6-4-3-5-7-11)17(19)13-10-12(18)8-9-15(13)20-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeySMIQAQWGMXDGKY-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.57
Rot. Bonds3

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one (PubChem CID 144824020) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one
PubChem CID144824020
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one
SMILESCCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C17H13FO2.C7H7N5O/c1-2-14-16(11-6-4-3-5-7-11)17(19)13-10-12(18)8-9-15(13)20-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeySMIQAQWGMXDGKY-UHFFFAOYSA-N
XLogP3.57
TPSA129.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one (CID 144824020) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one is CCc1oc2ccc(F)cc2c(=O)c1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one?
The InChIKey is SMIQAQWGMXDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2.C7H7N5O/c1-2-14-16(11-6-4-3-5-7-11)17(19)13-10-12(18)8-9-15(13)20-14;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one?
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one has a molecular weight of 445.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-6-fluoro-3-phenylchromen-4-one is sourced from PubChem (CID 144824020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).